3-(2-Chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid
TL;DR: 3-(2-Chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid (CAS 113943-13-8) is a chemical compound with molecular formula C7H6ClN5O3 and molecular weight 243.01591 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-chloroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid
Also Known As: 3-Coitc, 3-(2-Chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid, 3-(2-chloroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid, 7-(diethylamino)-2-phenylchromeno[2,3-c]pyrazol-3-one, 3-(2-Chloroethyl)-3,4-dihydro-4-oxoimidazo(5,1-a)-1,2,3,5-tetrazine-8-carboxylic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6ClN5O3 |
| Molecular Weight | 243.01591 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.01591 Da |
| Heavy Atoms | 16 |
| Complexity | 349.0 |
| SMILES | C1=NC(=C2N1C(=O)N(N=N2)CCCl)C(=O)O |
| InChIKey | FOGTXLLWVRUBDH-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid
Property Insights of 3-(2-Chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid. Following Lipinski's Rule of Five, 3-(2-Chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-Chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid?
The CAS number of 3-(2-Chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid is 113943-13-8.
What is the molecular formula of 3-(2-Chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid?
The molecular formula of 3-(2-Chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid is C7H6ClN5O3.
What is the molecular weight of 3-(2-Chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid?
The molecular weight of 3-(2-Chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid is 243.01591 g/mol.
Where can I buy 3-(2-Chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid?
You can request a quote for 3-(2-Chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-(2-Chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.